588673-94-3
5-[(3,4-DIMETHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name
5-[(3,4-DIMETHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Formula
C13 H17 N3 O S
MolWeight
263.363
1Identification
【Name】
5-[(3,4-DIMETHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943519
【English Synonyms】
【Formula】
C13 H17 N3 O S
【MolWeight】
263.363
【Inchi】
InChI=1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)8-17-11-6-5-9(2)10(3)7-11/h5-7H,4,8H2,1-3H3,(H,15,18)
【InChIKey】
InChIKey=CTXPCGMKEKORRJ-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)COc2ccc(c(c2)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(3,4-DIMETHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml
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Catalog No:A74317 nullnull
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Business Type:Trading Company
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bestiPharma, Inc.
Catalog No:524-337 5G
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Country/Region:United States
Business Type:Trading Company
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